5-(6-methylsulfonyl-3-pyridinyl)-2-[1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine

C26H30N6O3S2 — CID 131985248

About 5-(6-methylsulfonyl-3-pyridinyl)-2-[1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine

5-(6-methylsulfonyl-3-pyridinyl)-2-[1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 131985248) has the molecular formula C26H30N6O3S2 and a molecular weight of 538.70 g/mol. Its IUPAC name is 5-(6-methylsulfonyl-3-pyridinyl)-2-[1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

• Compound Name: 5-(6-methylsulfonyl-3-pyridinyl)-2-[1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine
• PubChem CID: 131985248
• Molecular Formula: C26H30N6O3S2
• Molecular Weight: 538.70 g/mol
• Exact Mass: 538.18
• IUPAC Name: 5-(6-methylsulfonyl-3-pyridinyl)-2-[1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine
• SMILES: CCCc1cnc(N2CCC(C(C)Oc3nc4ccc(-c5ccc(S(C)(=O)=O)nc5)nc4s3)CC2)nc1
• InChI: InChI=1S/C26H30N6O3S2/c1-4-5-18-14-28-25(29-15-18)32-12-10-19(11-13-32)17(2)35-26-31-22-8-7-21(30-24(22)36-26)20-6-9-23(27-16-20)37(3,33)34/h6-9,14-17,19H,4-5,10-13H2,1-3H3
• InChIKey: HWTLFSSBTWYCPR-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 111.06 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.70
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-(6-methylsulfonyl-3-pyridinyl)-2-[1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine?

The IUPAC name of 5-(6-methylsulfonyl-3-pyridinyl)-2-[1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine (CID 131985248) is 5-(6-methylsulfonyl-3-pyridinyl)-2-[1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine.

What is the SMILES notation for 5-(6-methylsulfonyl-3-pyridinyl)-2-[1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine?

The canonical SMILES for 5-(6-methylsulfonyl-3-pyridinyl)-2-[1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine is CCCc1cnc(N2CCC(C(C)Oc3nc4ccc(-c5ccc(S(C)(=O)=O)nc5)nc4s3)CC2)nc1.

What is the InChIKey of 5-(6-methylsulfonyl-3-pyridinyl)-2-[1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine?

The InChIKey is HWTLFSSBTWYCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O3S2/c1-4-5-18-14-28-25(29-15-18)32-12-10-19(11-13-32)17(2)35-26-31-22-8-7-21(30-24(22)36-26)20-6-9-23(27-16-20)37(3,33)34/h6-9,14-17,19H,4-5,10-13H2,1-3H3.

What are the key properties of 5-(6-methylsulfonyl-3-pyridinyl)-2-[1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine?

5-(6-methylsulfonyl-3-pyridinyl)-2-[1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 538.70 g/mol, XLogP of 4.58, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(6-methylsulfonyl-3-pyridinyl)-2-[1-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 131985248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).